Isobornyl acetate
- Formula: C12H20O2
- Molecular weight: 196.2860
- IUPAC Standard InChIKey: KGEKLUUHTZCSIP-SQLBVSGCSA-N
- CAS Registry Number: 125-12-2
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
The 3d structure may be viewed using Java or Javascript. - Stereoisomers:
- Other names: Bicyclo[2.2.1]heptan-2-ol, 1,7,7-trimethyl-, acetate, exo-; Isoborneol, acetate; Acetic acid, isobornyl ester; Pichtosin; Pichtosine; Bicyclo(2.2.1)heptan-2-ol, 1,7,7-trimethyl-, 2-acetate, (1R,2R,4R)-rel-; exo-Bornyl acetate; 2-Bornyl acetate, exo-; exo-1,7,7-Trimethylbicyclo(2.2.1)hept-2-yl acetate; 1,7,7-Trimethylbicyclo[2.2.1]hept-2-yl acetate; 17283-45-3; endo-Bornyl acetate; (+)-Bornyl acetate = Isobornyl acetate
- Permanent link for this species. Use this link for bookmarking this species for future reference.
- Information on this page:
- Other data available:
- Options:
Normal alkane RI, non-polar column, temperature ramp
Go To: Top, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | BP-1 | VF-5 MS | VF-5 MS | Elite-5 MS | DB-5 |
Column length (m) | 30. | 60. | 60. | 30. | 30. |
Carrier gas | Nitrogen | Helium | Helium | Helium | Helium |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.32 | 0.32 | 0.25 | 0.25 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
Tstart (C) | 60. | 30. | 30. | 40. | 50. |
Tend (C) | 275. | 260. | 260. | 220. | 250. |
Heat rate (K/min) | 4. | 2. | 2. | 4. | 2. |
Initial hold (min) | |||||
Final hold (min) | 28. | 28. | |||
I | 1286. | 1286. | 1287. | 1285. | 1286. |
Reference | Dehshahri, Afsharypuor, et al., 2012 | Leffingwell and Alford, 2011 | Leffingwell and Alford, 2011 | Baharum, Bunawan, et al., 2010 | Ho, Wang, et al., 2010 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | HP-5 MS | HP-5 MS | HP-5 MS | DB-5 | HP-5 |
Column length (m) | 30. | 30. | 30. | 30. | 25. |
Carrier gas | Helium | Helium | Helium | Helium | Helium |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
Tstart (C) | 60. | 100. | 70. | 40. | 60. |
Tend (C) | 220. | 220. | 290. | 250. | 240. |
Heat rate (K/min) | 5. | 2. | 5. | 10. | 4. |
Initial hold (min) | 10. | 1. | 2. | ||
Final hold (min) | 10. | 3. | |||
I | 1287. | 1283. | 1290. | 1286. | 1286. |
Reference | Ogunwande, Flamini, et al., 2010 | Pripdeevech, Chumpolsri, et al., 2010 | Radulovic, Blagojevic, et al., 2010 | Yang, Zhang, et al., 2010 | Verdian-rizi, 2008 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | HP-5 MS | HP-5MS | HP-5 | RTX-5 MS | HP-5 MS |
Column length (m) | 30. | 30. | 30. | 30. | 30. |
Carrier gas | Helium | He | N2 | He | Helium |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
Tstart (C) | 50. | 60. | 50. | 45. | 60. |
Tend (C) | 230. | 280. | 240. | 210. | 220. |
Heat rate (K/min) | 3. | 3. | 5. | 3. | 5. |
Initial hold (min) | 10. | 1. | 3. | ||
Final hold (min) | 10. | 4. | 3. | ||
I | 1283. | 1280. | 1279. | 1285. | 1275. |
Reference | Adams, Beauchamp, et al., 2007 | Basta, Pavlovic, et al., 2007 | Cheraif, Ben Jannet, et al., 2007 | Hudaib and Aburjai, 2007 | Safaei-Ghomi, Bamoniri, et al., 2007 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | HP-5 MS | DB-1 | DB-5 | HP-5 | BPX-5 |
Column length (m) | 30. | 30. | 30. | 25. | 25. |
Carrier gas | Helium | He | He | N2 | He |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.2 | 0.22 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.33 | 0.25 |
Tstart (C) | 60. | 50. | 60. | 30. | 50. |
Tend (C) | 280. | 265. | 200. | 280. | 320. |
Heat rate (K/min) | 3. | 2.5 | 2. | 3. | 5. |
Initial hold (min) | 1. | 5. | |||
Final hold (min) | 20. | 60. | |||
I | 1286. | 1259. | 1285. | 1296. | 1296. |
Reference | Vagionas, Graikou, et al., 2007 | Iranshahi, Amin, et al., 2006 | Rout, Naik, et al., 2006 | Shafi, Jose, et al., 2006 | Dickschat, Martens, et al., 2005 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | HP-5 | DB-5 | DB-5 | HP-5MS | DB-5 |
Column length (m) | 25. | 30. | 30. | 30. | 30. |
Carrier gas | He | He | He | He | |
Substrate | |||||
Column diameter (mm) | 0.2 | 0.32 | 0.32 | 0.2 | 0.25 |
Phase thickness (μm) | 0.33 | 0.25 | |||
Tstart (C) | 60. | 60. | 60. | 60. | 60. |
Tend (C) | 240. | 240. | 240. | 280. | 230. |
Heat rate (K/min) | 3. | 3. | 3. | 3. | 3. |
Initial hold (min) | |||||
Final hold (min) | 7. | 20. | |||
I | 1284. | 1281. | 1282. | 1286. | 1286. |
Reference | Duarte, Figueira, et al., 2005 | Khayyat and Karimi, 2005 | Khayyat and Karimi, 2005 | Petrakis, Roussis, et al., 2005 | Skoula and Grayer, 2005 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | HP-5MS | SPB-5 | DB-5 | DB-1 | DB-5 |
Column length (m) | 30. | 60. | 60. | 30. | 30. |
Carrier gas | He | He | He | He | He |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.32 | 0.25 | 0.25 | 0.25 |
Phase thickness (μm) | 0.25 | 1. | 0.25 | 0.25 | 0.25 |
Tstart (C) | 60. | 60. | 40. | 50. | 40. |
Tend (C) | 280. | 200. | 280. | 265. | 250. |
Heat rate (K/min) | 3. | 4. | 4. | 2.5 | 2. |
Initial hold (min) | 4. | 1. | 5. | ||
Final hold (min) | 30. | 20. | 20. | ||
I | 1285. | 1292. | 1285. | 1262. | 1285. |
Reference | Slavkovska, Couladis, et al., 2005 | Gauvin, Ravaomanarivo, et al., 2004 | Kalvandi, Sefidkon, et al., 2004 | Sarkhail, Amin, et al., 2004 | Senatore, Rigano, et al., 2004 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | HP-5 | BPX-5 | Methyl Silicone | RSL-200 | CP Sil 5 CB |
Column length (m) | 25. | 25. | 12.5 | 30. | 25. |
Carrier gas | N2 | He | He | H2 | He |
Substrate | |||||
Column diameter (mm) | 0.2 | 0.22 | 0.25 | 0.32 | 0.25 |
Phase thickness (μm) | 0.5 | 1. | 0.25 | 0.25 | |
Tstart (C) | 30. | 60. | 50. | 40. | 35. |
Tend (C) | 280. | 250. | 270. | 280. | 280. |
Heat rate (K/min) | 3. | 3. | 4. | 6. | 5. |
Initial hold (min) | 5. | 5. | 2.5 | ||
Final hold (min) | 10. | 5. | |||
I | 1296. | 1305. | 1279. | 1274. | 1265. |
Reference | Shafi, Nambiar, et al., 2004 | Vilaseca, Guy, et al., 2004 | Curini, Bianchi, et al., 2003 | Jirovetz, Buchbauer, et al., 2003 | Kanjilal, Kotoky, et al., 2003 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | Methyl Silicone | HP-5 | HP-5 | DB-5 | DB-1 |
Column length (m) | 25. | 25. | 30. | 50. | |
Carrier gas | He | H2 | H2 | He | N2 |
Substrate | |||||
Column diameter (mm) | 0.32 | 0.32 | 0.25 | 0.25 | |
Phase thickness (μm) | 0.53 | 0.53 | 0.25 | 0.25 | |
Tstart (C) | 35. | 40. | 40. | 60. | 80. |
Tend (C) | 180. | 280. | 280. | 240. | 225. |
Heat rate (K/min) | 4. | 4. | 4. | 3. | 4. |
Initial hold (min) | |||||
Final hold (min) | |||||
I | 1266. | 1280. | 1286. | 1285. | 1262. |
Reference | Santos and Cordeiro, 2003 | Velickovic, Randjelovic, et al., 2003 | Velickovic, Randjelovic, et al., 2003 | Kobaisy, Tellez, et al., 2002 | Palá-Paúl, Pérez-Alonso, et al., 2002 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | HP-5 | HP-5 MS | SPB-1 | DB-5 | DB-1 |
Column length (m) | 30. | 30. | 50. | 30. | 60. |
Carrier gas | N2 | Helium | He | He | |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.2 | 0.25 | 0.25 |
Phase thickness (μm) | 0.25 | 0.25 | 0.33 | 0.25 | 0.25 |
Tstart (C) | 60. | 50. | 60. | 40. | 50. |
Tend (C) | 220. | 250. | 260. | 250. | 220. |
Heat rate (K/min) | 5. | 5. | 4. | 2. | 4. |
Initial hold (min) | 10. | 2. | 5. | ||
Final hold (min) | 5. | 60. | |||
I | 1286. | 1282. | 1270. | 1317. | 1279. |
Reference | Gallori, Flamini, et al., 2001 | Shang, Hu, et al., 2001 | Choo, Wong, et al., 1999 | Porta, Porcedda, et al., 1999 | Sefidkon and Mirza, 1999 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | DB-5 | DB-1 | DB-5 | DB-1 | OV-101 |
Column length (m) | 30. | 60. | 30. | 60. | 50. |
Carrier gas | He | He | He | ||
Substrate | |||||
Column diameter (mm) | 0.25 | 0.32 | 0.25 | 0.25 | 0.22 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | |
Tstart (C) | 60. | 60. | 60. | 50. | 80. |
Tend (C) | 240. | 220. | 300. | 250. | 200. |
Heat rate (K/min) | 3. | 3. | 4. | 2.5 | 2. |
Initial hold (min) | 2. | 5. | |||
Final hold (min) | 5. | ||||
I | 1281. | 1272. | 1282.2 | 1275. | 1279. |
Reference | El-Sakhawy, El-Tantawy, et al., 1998 | Werkhoff and Güntert, 1997 | Gawdzik, Mardarowicz, et al., 1996 | Stashenko, Puertas, et al., 1996 | Egolf and Jurs, 1993 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary |
---|---|
Active phase | CP Sil 5 CB |
Column length (m) | 25. |
Carrier gas | |
Substrate | |
Column diameter (mm) | 0.25 |
Phase thickness (μm) | |
Tstart (C) | 60. |
Tend (C) | 280. |
Heat rate (K/min) | 5. |
Initial hold (min) | |
Final hold (min) | |
I | 1268. |
Reference | Kaul, Singh, et al., 1993 |
Comment | MSDC-RI |
References
Go To: Top, Normal alkane RI, non-polar column, temperature ramp, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
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Composition of the essential oil from flowerheads of Chrysanthemum coronarium L. (Asteraceae) growing wild in Southern Italy,
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Jirovetz, Buchbauer, et al., 2003
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Analysis of the essential oils of the leaves, stems, rhizomes and roots of the medicinal plant Alpinia galanga from southern India,
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Chemical composition of the leaf oil of Altingia excelsa Nornha,
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Notes
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